BDBM50526505 CHEMBL4591235

SMILES: COc1ccc2cc(cnc2c1)C(=O)NC1CCN(CC1)S(C)(=O)=O

InChI Key: InChIKey=KFRKKJSICJREES-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50526505   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin D Synthase (Homo sapiens (Human))	BDBM50526505 (CHEMBL4591235) Show SMILES COc1ccc2cc(cnc2c1)C(=O)NC1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C17H21N3O4S/c1-24-15-4-3-12-9-13(11-18-16(12)10-15)17(21)19-14-5-7-20(8-6-14)25(2,22)23/h3-4,9-11,14H,5-8H2,1-2H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017
					More data for this Ligand-Target Pair